0 mol 56 unq 0 iso 0 dist 9.49909 8.97054 8.37022 6.93938 8.81003 3.71013 numMergedOcc 0
1 mol 56 unq 0 iso 1 dist 8.37022 8.97054 9.49909 3.71013 8.81003 6.93938 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 9.27229 11.3476 7.86678 4.96456 8.44181 12.8239 numMergedOcc 0
3 mol 71 unq 0 iso 1 dist 7.86678 11.3476 9.27229 12.8239 8.44181 4.96456 numMergedOcc 0
4 mol 71 unq 1 iso 0 dist 6.71332 6.17026 4.87423 7.72958 9.03987 5.86791 numMergedOcc 0
5 mol 71 unq 1 iso 1 dist 4.87423 6.17026 6.71332 5.86791 9.03987 7.72958 numMergedOcc 0
6 mol 71 unq 2 iso 0 dist 6.71332 5.76061 4.76283 7.72958 9.03987 9.2661 numMergedOcc 0
7 mol 71 unq 2 iso 1 dist 4.76283 5.76061 6.71332 9.2661 9.03987 7.72958 numMergedOcc 0
8 mol 71 unq 2 iso 0 dist 4.87423 3.843 4.76283 5.86791 9.03987 9.2661 numMergedOcc 0
9 mol 71 unq 2 iso 1 dist 4.76283 3.843 4.87423 9.2661 9.03987 5.86791 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.99156 13.6926 7.21285 10.38 9.53327 14.9324 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 7.21285 13.6926 6.99156 14.9324 9.53327 10.38 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 9.51608 10.9425 8.62536 6.20053 6.84747 4.90088 numMergedOcc 0
13 mol 76 unq 0 iso 1 dist 8.62536 10.9425 9.51608 4.90088 6.84747 6.20053 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 9.51608 10.9425 8.62536 7.70147 7.75436 7.5659 numMergedOcc 0
15 mol 76 unq 1 iso 1 dist 8.62536 10.9425 9.51608 7.5659 7.75436 7.70147 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 6.2491 5.4823 3.59451 4.81103 7.2337 7.22196 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 3.59451 5.4823 6.2491 7.22196 7.2337 4.81103 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 9.17909 15.3111 9.37708 5.27499 9.75656 16.6573 numMergedOcc 0
19 mol 112 unq 0 iso 1 dist 9.37708 15.3111 9.17909 16.6573 9.75656 5.27499 numMergedOcc 0
20 mol 125 unq 0 iso 0 dist 6.6081 10.6764 9.64304 7.74181 9.2657 8.27647 numMergedOcc 0
21 mol 125 unq 0 iso 1 dist 9.64304 10.6764 6.6081 8.27647 9.2657 7.74181 numMergedOcc 0
22 mol 130 unq 0 iso 0 dist 8.26291 13.7304 7.86001 9.33864 5.05277 5.6007 numMergedOcc 0
23 mol 130 unq 0 iso 1 dist 7.86001 13.7304 8.26291 5.6007 5.05277 9.33864 numMergedOcc 0
24 mol 156 unq 0 iso 0 dist 6.67598 14.2743 8.34508 5.02458 9.6281 17.0458 numMergedOcc 0
25 mol 156 unq 0 iso 1 dist 8.34508 14.2743 6.67598 17.0458 9.6281 5.02458 numMergedOcc 0
26 mol 193 unq 0 iso 0 dist 9.16852 8.50438 8.6538 5.35985 9.82224 9.89855 numMergedOcc 0
27 mol 193 unq 0 iso 1 dist 8.6538 8.50438 9.16852 9.89855 9.82224 5.35985 numMergedOcc 0
28 mol 193 unq 1 iso 0 dist 9.16852 8.50438 8.6538 12.1335 8.95886 13.8215 numMergedOcc 0
29 mol 193 unq 1 iso 1 dist 8.6538 8.50438 9.16852 13.8215 8.95886 12.1335 numMergedOcc 0
30 mol 193 unq 2 iso 0 dist 9.16852 13.1729 5.19654 5.35985 9.82224 12.9817 numMergedOcc 0
31 mol 193 unq 2 iso 1 dist 5.19654 13.1729 9.16852 12.9817 9.82224 5.35985 numMergedOcc 0
32 mol 193 unq 3 iso 0 dist 9.16852 13.1729 5.19654 12.1335 8.95886 10.7013 numMergedOcc 0
33 mol 193 unq 3 iso 1 dist 5.19654 13.1729 9.16852 10.7013 8.95886 12.1335 numMergedOcc 0
34 mol 193 unq 2 iso 0 dist 8.6538 8.96814 5.19654 9.89855 9.82224 12.9817 numMergedOcc 0
35 mol 193 unq 2 iso 1 dist 5.19654 8.96814 8.6538 12.9817 9.82224 9.89855 numMergedOcc 0
36 mol 193 unq 3 iso 0 dist 8.6538 8.96814 5.19654 13.8215 8.95886 10.7013 numMergedOcc 0
37 mol 193 unq 3 iso 1 dist 5.19654 8.96814 8.6538 10.7013 8.95886 13.8215 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 9.60247 11.0251 8.57273 12.831 8.8938 5.57992 numMergedOcc 0
39 mol 220 unq 0 iso 1 dist 8.57273 11.0251 9.60247 5.57992 8.8938 12.831 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 9.92947 5.639 8.68767 6.64902 9.42667 5.77278 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 8.68767 5.639 9.92947 5.77278 9.42667 6.64902 numMergedOcc 0
42 mol 232 unq 0 iso 0 dist 7.33708 9.5675 4.46314 5.65837 6.67239 10.7624 numMergedOcc 0
43 mol 232 unq 0 iso 1 dist 4.46314 9.5675 7.33708 10.7624 6.67239 5.65837 numMergedOcc 0
44 mol 232 unq 1 iso 0 dist 7.33708 9.5675 4.46314 4.82887 6.23146 8.15893 numMergedOcc 0
45 mol 232 unq 1 iso 1 dist 4.46314 9.5675 7.33708 8.15893 6.23146 4.82887 numMergedOcc 0
46 mol 259 unq 0 iso 0 dist 8.38727 5.37654 6.6731 4.32336 8.02757 4.34105 numMergedOcc 0
47 mol 259 unq 0 iso 1 dist 6.6731 5.37654 8.38727 4.34105 8.02757 4.32336 numMergedOcc 0
48 mol 259 unq 1 iso 0 dist 8.38727 14.3705 9.83696 4.32336 8.02757 11.2938 numMergedOcc 0
49 mol 259 unq 1 iso 1 dist 9.83696 14.3705 8.38727 11.2938 8.02757 4.32336 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 6.6731 9.5552 9.83696 4.34105 8.02757 11.2938 numMergedOcc 0
51 mol 259 unq 1 iso 1 dist 9.83696 9.5552 6.6731 11.2938 8.02757 4.34105 numMergedOcc 0
52 mol 279 unq 0 iso 0 dist 8.76889 6.55493 7.04397 4.99186 8.16582 8.17282 numMergedOcc 0
53 mol 279 unq 0 iso 1 dist 7.04397 6.55493 8.76889 8.17282 8.16582 4.99186 numMergedOcc 0
